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Thermodynamic analysis of the Co–W system

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Abstract

Density functional theory (DFT) calculations including spin polarization were performed to obtain the energies for all end-member configurations of the μ phase, which were used to evaluate the Gibbs energies of the μ phase. The Co–W system was thermodynamically re-assessed in the present work. The present calculated phase diagram fits well with the experimental data. Applying the DFT results was essential for giving a better description of the μ phase.

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Acknowledgements

This work was performed under the following financial assistance award 70NANB14H012 from US Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD).

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Authors and Affiliations

  1. Center for Hierarchical Materials Design (CHiMaD), Northwestern University, 2205 Tech Drive, Evanston, IL, 60208, USA

    Peisheng Wang, Oleg Y. Kontsevoi & Gregory B. Olson

  2. Northwestern-Argonne Institute of Science and Engineering, Northwestern University, 2205 Tech Drive, Evanston, IL, 60208, USA

    Oleg Y. Kontsevoi

  3. Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, IL, 60208, USA

    Gregory B. Olson

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  1. Peisheng Wang
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  2. Oleg Y. Kontsevoi
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Correspondence to Peisheng Wang.

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Wang, P., Kontsevoi, O.Y. & Olson, G.B. Thermodynamic analysis of the Co–W system. J Mater Sci 54, 10261–10269 (2019). https://doi.org/10.1007/s10853-019-03616-3

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